(2R,3S)-3-(Isopropylamino)-1-[(7-Methyl-2,3-Dihydro-1H-Inden-4-Yl)Oxy]-2-Butanol

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Properties Simple | Detailed

Formula C17H27NO2
IUPAC Name (2r,3s)-3-(isopropylamino)-1-(7-methylindan-4-yl)oxy-butan-2-ol
Molecular Mass 277.402 g·mol−1
Heat of Formation -413.1 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 374.61 Å 3
Surface Area 314.42 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy 0.46 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s)-1-[(7-methyl-2,3-dihydro-1h-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol
  • (2r,3s)-3-(isopropylamino)-1-(7-methylindan-4-yl)oxy-butan-2-ol
  • (2r,3s)-3-(isopropylamino)-1-[(7-methyl-4-indanyl)oxy]butan-2-ol
  • 2-butanol, 1-((2,3-dihydro-7-methyl-1h-inden-4-yl)oxy)-3-((1-methylethyl)amino)-, (2r,3s)-rel-
  • 2-butanol, 1-((2,3-dihydro-7-methyl-1h-inden-4-yl)oxy)-3-((1-methylethyl)amino)-, (r*,s*)-(+-)-
  • erythro-dl-1-(7-methylindan-4-yloxy)-3-isopropylaminobutan-2-ol
  • ici 111,581
  • ici 118551
  • tocris-0821
CAS Number(s)
  • 72795-19-8
InChIKey VFIDUCMKNJIJTO-BBRMVZONSA-N
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